10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
(E/Z)-IT-603 is a mixture of E-IT-603 and Z-IT-603. IT-603 is a NF-κB family memberc-Relinhibitor with an IC50 of 3 μM in electrophoretic mobility shift assay (EMSA).
| Canonical Smiles | COC1=CC(=CC(=C1O)C=C2C(=O)NC(=S)N2)Br |
|---|---|
| IUPAC Name | (5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| InChIKey | PYLYAEDUIKQBOT-XVNBXDOJSA-N |
| INCHI | 1S/C11H9BrN2O3S/c1-17-8-4-6(12)2-5(9(8)15)3-7-10(16)14-11(18)13-7/h2-4,15H,1H3,(H2,13,14,16,18)/b7-3+ |
| Isomeric SMILES | COC1=CC(=CC(=C1O)/C=C/2\C(=O)NC(=S)N2)Br |
| PubChem CID | 840180 |
| Molecular Weight | 329.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Methoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyphenols |
| Alternative Parents | Alpha amino acids and derivatives Phenoxy compounds P-bromophenols Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Imidazolidinones Thioureas Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - 4-halophenol - Methoxybenzene - 4-bromophenol - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Imidazolidinone - Aryl halide - Monocyclic benzene moiety - Imidazolidine - Thiourea - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
| External Descriptors | Not available |
| Molecular Weight | 329.170 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 327.952 Da |
| Monoisotopic Mass | 327.952 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
